SCHEMBL7061032

SCHEMBL7061032

Cc1c(OC(=O)Nc2ccc(N3CCN(CCCO)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.41
DRD2 P14416 3/20 0.41
HTR2A P28223 3/20 0.41
DRD1 P21728 2/20 0.41
DRD3 P35462 2/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7057735 0.95 MAPT (0.41) DRD4DRD2HTR2ADRD1DRD3
SCHEMBL7059390 0.93 MAPT (0.39) DRD4DRD2HTR2ADRD1DRD3
SCHEMBL7055974 0.92 DRD2 (0.42) DRD4DRD2HTR2ADRD1DRD3
SCHEMBL7057633 0.89 ALDH1A1 (0.42) DRD4DRD2HTR2ADRD1DRD3
SCHEMBL7057696 0.88 MAPT (0.40) DRD4DRD2HTR2ADRD1DRD3
SCHEMBL7059077 0.88 ALDH1A1 (0.41) DRD4DRD2HTR2ADRD1DRD3
SCHEMBL7056356 0.88 DRD4 (0.46) DRD4DRD2HTR2ADRD1DRD3
SCHEMBL7058465 0.87 ALDH1A1 (0.43) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL6052472 0.87 P2RY12 (0.47) DRD4DRD2HTR2ADRD1DRD3
SCHEMBL7054702 0.86 MAPT (0.39) MAPTMEN1ALDH1A1HPGDKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed